67105-42-4

Basic information

• Product Name: ethyl 2-cyano-2-(cyclohex-1-enyl)propionate
• Synonyms: ethyl 2-cyano-2-(cyclohex-1-enyl)propionate;α-Cyano-α-methyl-1-cyclohexene-1-acetic acid ethyl ester
• CAS NO: 67105-42-4
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.26888
• EINECS: 266-569-4
• Mol File: 67105-42-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 305.1°Cat760mmHg
• Flash Point: 141.4°C
• Appearance: /
• Density: 1.069g/cm³
• Vapor Pressure: 0.000839mmHg at 25°C
• Refractive Index: 1.493
• CAS DataBase Reference: ethyl 2-cyano-2-(cyclohex-1-enyl)propionate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-cyano-2-(cyclohex-1-enyl)propionate(67105-42-4)
• EPA Substance Registry System: ethyl 2-cyano-2-(cyclohex-1-enyl)propionate(67105-42-4)

Safety Data

• Hazardous Substances Data: 67105-42-4(Hazardous Substances Data)

Usage

General Description

Ethyl 2-cyano-2-(cyclohex-1-enyl)propionate is a chemical compound with the molecular formula C12H17NO2. It is an ester formed from ethyl alcohol and a derivative of cyclohexene and cyanoacetic acid. ethyl 2-cyano-2-(cyclohex-1-enyl)propionate is commonly used as a fragrance and flavoring agent in the food and beverage industry. It is also used in the production of perfumes, cosmetics, and personal care products. Additionally, ethyl 2-cyano-2-(cyclohex-1-enyl)propionate has potential applications in the field of organic synthesis and medicinal chemistry. However, it is important to handle this chemical with care and follow safety guidelines due to its potential hazards.

InChI:InChI=1/C12H17NO2/c1-3-15-11(14)12(2,9-13)10-7-5-4-6-8-10/h7H,3-6,8H2,1-2H3

Upstream product

• 141-52-6 sodium ethanolate 
• 6802-76-2 ethyl 2-cyano-2-cyclohexylideneacetate 
• 74-88-4 methyl iodide 
• 108-94-1 cyclohexanone 
• 105-56-6 ethyl 2-cyanoacetate 
• 58567-40-1 ethyl 1-cyclohexenylcyanoacetate 

Downstream Products

• 98459-54-2 ethyl 3-amino-2-(cyclohex-1-en-1-yl)-2-methylpropanoate 
• 23849-73-2 5-cyclohexenyl-1,5-dimethyltetrahydropyrimidin-2(1H)-one 

Relevant articles and documents

Late-Stage Intermolecular Allylic C-H Amination

Allylic amination enables late-stage functionalization of natural products where allylic C-H bonds are abundant and introduction of nitrogen may alter biological profiles. Despite advances, intermolecular allylic amination remains a challenging problem due to reactivity and selectivity issues that often mandate excess substrate, furnish product mixtures, and render important classes of olefins (for example, functionalized cyclic) not viable substrates. Here we report that a sustainable manganese perchlorophthalocyanine catalyst, [MnIII(ClPc)], achieves selective, preparative intermolecular allylic C-H amination of 32 cyclic and linear compounds, including ones housing basic amines and competing sites for allylic, ethereal, and benzylic amination. Mechanistic studies support that the high selectivity of [MnIII(ClPc)] may be attributed to its electrophilic, bulky nature and stepwise amination mechanism. Late-stage amination is demonstrated on five distinct classes of natural products, generally with >20:1 site-, regio-, and diastereoselectivity.

ALKYLATION OF CYANOACETIC ESTERS IN THE PRESENCE OF POTASSIUM FLUORIDE

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